PDB-code
| Kinase structure | |
| Kinase: | Map3k14 (NIK) |
| Family: | STE-Unique |
| Group: | STE |
| Species: | MOUSE |
| PDB: | 4G3E |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2012-08-15 |
| PubMed: | 22921830 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | 0WC |
 | |
| More entries for 4G3E | |||||
| 4G3E | Alternative model: | A | Chain: | B | |
| 4G3E | Alternative model: | B | Chain: | A | |
| 4G3E | Alternative model: | B | Chain: | B | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 52.4° (15.2Å) |
| G-rich loop rotation: | 109.1° |
| Quality Score: | 8 |
| Resolution: | 2.5 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate back | BP-I-B BP-II-in BP-II-A-in | |||
| Pocket alignment | |
| Uniprot sequence: | PRVGRGSFGEVHRCAVKKVFRVEELVACAGLSPRIVPLYGANIFMELLEGGSLGQLIKQYLHTRRILHGDVKADNVLLLCDFGHA |
| Sequence structure: | PRVGRGSFGEVHRCAVKKVFRVEELVACAGLSPRIVPLYGANIFMELLEGGSLGQLIKQYLHTRRILHGDVKADNVLLLCDFGHA |
| Ligand affinity | |
| Ligand not found in ChEMBL. | |
Kinase-ligand interaction pattern
• Hydrophobic • Aromatic face-to-face • Aromatic face-to-edge • H-bond donor • H-bond acceptor • Ionic positive • Ionic negative
| I | g.l | II | III | αC | |||||||||||||||
| 1 P 406 | 2 R 407 | 3 V 408 | 4 G 409 | 5 R 410 | 6 G 411 | 7 S 412 | 8 F 413 | 9 G 414 | 10 E 415 | 11 V 416 | 12 H 417 | 13 R 418 | 14 C 428 | 15 A 429 | 16 V 430 | 17 K 431 | 18 K 432 | 19 V 433 | 20 F 438 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 R 439 | 22 V 440 | 23 E 441 | 24 E 442 | 25 L 443 | 26 V 444 | 27 A 445 | 28 C 446 | 29 A 447 | 30 G 448 | 31 L 449 | 32 S 450 | 33 P 452 | 34 R 453 | 35 I 454 | 36 V 455 | 37 P 456 | 38 L 457 | 39 Y 458 | 40 G 459 |
| • | • | • | • | • | |||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 460 | 42 N 468 | 43 I 469 | 44 F 470 | 45 M 471 | 46 E 472 | 47 L 473 | 48 L 474 | 49 E 475 | 50 G 476 | 51 G 477 | 52 S 478 | 53 L 479 | 54 G 480 | 55 Q 481 | 56 L 482 | 57 I 483 | 58 K 484 | 59 Q 485 | 60 Y 507 |
| • | • | • | • | •• | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 508 | 62 H 509 | 63 T 510 | 64 R 511 | 65 R 512 | 66 I 513 | 67 L 514 | 68 H 515 | 69 G 516 | 70 D 517 | 71 V 518 | 72 K 519 | 73 A 520 | 74 D 521 | 75 N 522 | 76 V 523 | 77 L 524 | 78 L 525 | 79 L 534 | 80 C 535 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 536 | 82 F 537 | 83 G 538 | 84 H 539 | 85 A 540 | |||||||||||||||
| •• | ••• | ||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
